SpectraBase Compound ID | JDbSG7RzR34 |
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InChI | InChI=1S/C33H38ClN5O3S/c1-2-22-42-29-14-12-26(13-15-29)35-31(40)24-30-32(41)39(28-11-6-8-25(34)23-28)33(43)38(30)17-7-16-36-18-20-37(21-19-36)27-9-4-3-5-10-27/h3-6,8-15,23,30H,2,7,16-22,24H2,1H3,(H,35,40) |
InChIKey | VEXYMZOXVVSUFN-UHFFFAOYSA-N |
Mol Weight | 620.2 g/mol |
Molecular Formula | C33H38ClN5O3S |
Exact Mass | 619.238389 g/mol |
SpectraBase Spectrum ID | D378rsPs4ge |
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Name | 4-imidazolidineacetamide, 1-(3-chlorophenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-N-(4-propoxyphenyl)-2-thioxo- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 619.238388975 u |
Formula | C33H38ClN5O3S |
InChI | InChI=1S/C33H38ClN5O3S/c1-2-22-42-29-14-12-26(13-15-29)35-31(40)24-30-32(41)39(28-11-6-8-25(34)23-28)33(43)38(30)17-7-16-36-18-20-37(21-19-36)27-9-4-3-5-10-27/h3-6,8-15,23,30H,2,7,16-22,24H2,1H3,(H,35,40) |
InChIKey | VEXYMZOXVVSUFN-UHFFFAOYSA-N |
Molecular Weight | 620.212 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_497 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13238977 |